SCHEMBL10768009

SCHEMBL10768009

CC(=O)NCC1CN(c2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 6/20 0.47
F10 P00742 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
KCNA5 P22460 1/20 0.39
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12851338 0.86 KCNA5 (0.51) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL10761796 0.82 MAOA (0.39) MTNR1AMTNR1BF10MAOAMAOB
SCHEMBL28381160 0.78 F10 (0.50) F10MAOAMAOBLMNAPTGS1
SCHEMBL16562186 0.78 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6097066 0.77 F10 (0.64) MTNR1AMTNR1BF10MAOAMAOB
SCHEMBL27951203 0.77 F10 (0.64) MTNR1AMTNR1BF10MAOAMAOB
SCHEMBL15472878 0.76 MAOB (0.71) F10MAOAMAOBLMNAPTGS1
SCHEMBL2830090 0.76 MAOB (0.71) F10MAOAMAOBLMNAPTGS1
SCHEMBL9805030 0.76 ADORA2A (0.41) MAOAMAOBLMNAADRB1
SCHEMBL20448471 0.74 MAOA (0.45) MTNR1AF10MAOAMAOBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US disclosed
EP-0184170-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-11 EP disclosed
EP-0127902-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-12 EP disclosed